ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04055
Compound Name3-beta-O-(E)-coumaroylbetulin
Chemical ClassTerpenoids
Molecular Weight602.853
logP8.294
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability61.416
logSwat-10.061
Number of Primary Metabolites3
Polar Surface Area99.817
Rotatable Bonds7
logKhsa2.183
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.133
Blood Brain Barrier (logBB)-1.697
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00122
TaxKB   -
Structure Download

 






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